Geometry & MOs

Info

ID:

215137

PubChem CID:

85084212

Reduced:

O11C39H68 (1)

Stoich.:

A11B39C68 (1)

Weight, g/mol:

718.342523

ΔHf, kcal/mol:

-611.19

Dipole, Da:

5.7

IP(EA), eV:

 -9.42(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-6-(4,6-dimethyloct-2-enoyloxy)-4,7-dihydroxy-3-(tetrazolidin-5-yl)-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC(CC(=CC(C(C)C1CC(CCCC=C(CCC(CC(CC(CCC(C(C(C(=O)O1)C)O)C)O)OC(=O)C)O)C)O)O)C)OC(=O)C

DOS

IR

Vibrations